CID 3126115

313403-92-8

Structural Information

Molecular Formula
C19H25N5O4
SMILES
CC(C)OCC(CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C)O
InChI
InChI=1S/C19H25N5O4/c1-12(2)28-11-14(25)10-24-15-16(23(3)19(27)22-17(15)26)21-18(24)20-9-13-7-5-4-6-8-13/h4-8,12,14,25H,9-11H2,1-3H3,(H,20,21)(H,22,26,27)
InChIKey
YXGLAXABVUGDLW-UHFFFAOYSA-N
Compound name
8-(benzylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.19064 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.19792 192.0
[M+Na]+ 410.17986 203.6
[M+NH4]+ 405.22446 195.0
[M+K]+ 426.15380 201.2
[M-H]- 386.18336 191.8
[M+Na-2H]- 408.16531 195.5
[M]+ 387.19009 193.1
[M]- 387.19119 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.